Workunit 31545037

name JNK1_A20_A05_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND1037
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:15:22 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
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38579690 611154 11 Dec 2025, 13:15:29 UTC 11 Dec 2025, 13:17:28 UTC Error while computing 53.98 1.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579726 635604 11 Dec 2025, 13:17:36 UTC 11 Dec 2025, 13:19:09 UTC Error while computing 62.46 11.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579757 549890 11 Dec 2025, 13:19:13 UTC 11 Dec 2025, 13:21:28 UTC Error while computing 82.53 39.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579804 626244 11 Dec 2025, 13:21:33 UTC 11 Dec 2025, 13:25:07 UTC Error while computing 64.53 9.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579872 503617 11 Dec 2025, 13:25:13 UTC 11 Dec 2025, 13:31:14 UTC Error while computing 90.55 27.07 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579944 539913 11 Dec 2025, 13:31:23 UTC 11 Dec 2025, 13:34:53 UTC Error while computing 124.18 17.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579978 609955 11 Dec 2025, 13:35:05 UTC 11 Dec 2025, 13:43:49 UTC Error while computing 161.35 15.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580047 593284 11 Dec 2025, 13:44:04 UTC 11 Dec 2025, 14:50:53 UTC Error while computing 61.43 14.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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